methyl 5-[(1-phenyl-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1-phenyl-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-isopropyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(1-phenyl-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-phenyl-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-isopropyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C21H20N4O3S/c1-13(2)18-16-11-22-25(14-7-5-4-6-8-14)19(16)20(24-23-18)29-12-15-9-10-17(28-15)21(26)27-3/h4-11,13H,12H2,1-3H3